(super 51)V MAS NMR investigation of (super 51)V quadrupole coupling and chemical shift anisotropy in divalent metal pyrovanadates

Article Abstract:

Magnitudes and relative orientations of (super 51)V quadrupole coupling and chemical shift tensors are determined from (super 51)V magic angle spinning (MAS) NMR spectra at 14.1 T for seven divalent metals. A linear correlation is observed between the principal elements for the (super 51)V quadrupole coupling tensors and calculated electric field gradient tensor elements, obtained from point-monopole calculations.

Analysis, Nuclear magnetic resonance spectroscopy, Anisotropy, NMR spectroscopy

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Solid-state density functional calculations for the group 11 monohalides

Article Abstract:

The study characterized the group 11 monohalides by a variety of different solid-state structures and modifications. The copper halides crystallize mainly in a cubic zinc blende structure, while silver halides are mostly found in a rock salt modification.

Science & research, Research, Usage, Crystals, Crystal structure, Density functionals, Density functional theory, Halides, Structure, Chemical properties

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